Modeling and Simulation of a Molecular Single-Electron Transistor

In this paper, to understand the concept of coupling, molecule density of states that coupled to the metal electrodes will be explained then, based on this concept, a weak and strong coupling for the molecules attached to the metal electrodes will be described. Capacitance model is used to explore the connection of addition energy with the Electron affinity and the ionization energy of the molecules. Also it will be showed that to calculate the single-electron current of a molecular single-electron transistor (SET), utilize of quantum-coulomb blockage (QCB) regime is necessary. The tunneling rate in the Quantum Colombian Blockade regimen will be obtained by replacing a Lorentzian function (as the tunneling transmission probability) at the tunneling rate in orthodox theory. Finally, based on the tunneling rate obtained for the QCB regime and using SIMON software, the current (or Coulomb oscillations) of the molecular SETs is calculated. Benzene and Carbon 60 are the two considering molecules for studying.